UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (3R)-N-[2-(2-furylmethoxy)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[2-(2-furylmethoxy)ethyl]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.45 1.3 -59.21 2 5 1 73 260.335 6 ↓
Mid Mid (pH 6-8) 0.45 0.13 -14.08 1 5 0 69 259.327 6 ↓

Analogs

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Popular Name: (3S)-N-[2-(2-furylmethoxy)ethyl]-1,1-dioxo-thiolan-3-amine (3S)-N-[2-(2-furylmethoxy)ethyl]…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.45 1.31 -59.47 2 5 1 73 260.335 6 ↓
Mid Mid (pH 6-8) 0.45 0.16 -14.29 1 5 0 69 259.327 6 ↓

Parameters Provided:

ring.id = 79063
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 79063 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=79063&filter.purchasability=annotated

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